ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate

C25H31FO3Si — CID 10741121

IUPACethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
SMILESCCOC(=O)/C(F)=C\C(C)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H31FO3Si/c1-6-28-24(27)23(26)19-20(2)17-18-29-30(25(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17,19H,6,18H2,1-5H3/b20-17+,23-19+
InChIKeyCNGXWJDZPQCPFC-VJMDKUEOSA-N
MW426.60 g/mol
LogP4.93
Rot. Bonds8

About ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate

ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate (PubChem CID 10741121) has the molecular formula C25H31FO3Si and a molecular weight of 426.60 g/mol. Its IUPAC name is ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
PubChem CID10741121
Molecular FormulaC25H31FO3Si
Molecular Weight426.60 g/mol
Exact Mass426.20
IUPAC Nameethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
SMILESCCOC(=O)/C(F)=C\C(C)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H31FO3Si/c1-6-28-24(27)23(26)19-20(2)17-18-29-30(25(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17,19H,6,18H2,1-5H3/b20-17+,23-19+
InChIKeyCNGXWJDZPQCPFC-VJMDKUEOSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
ethyl (6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoate
CID 90724731
ethyl (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-(2-oxopropyl)pentanoate
CID 102034226
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
(5Z)-3-bromo-5-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enylidene]furan-2-one
CID 71682556
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-[hydroxy(phenyl)methyl]hex-4-en-3-one
CID 15942434
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
diethyl 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylhex-4-enyl]propanedioate
CID 135071395
ethyl 3-bromo-4-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-2-oxobutanoate
CID 155592367

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate (CID 10741121) is ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate is CCOC(=O)/C(F)=C\C(C)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate?
The InChIKey is CNGXWJDZPQCPFC-VJMDKUEOSA-N. The full InChI is InChI=1S/C25H31FO3Si/c1-6-28-24(27)23(26)19-20(2)17-18-29-30(25(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17,19H,6,18H2,1-5H3/b20-17+,23-19+.
What are the key properties of ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate?
ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate has a molecular weight of 426.60 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate is sourced from PubChem (CID 10741121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).